1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea

C15H14Cl2N2O — CID 108866438

IUPAC1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H14Cl2N2O/c1-10-3-2-4-11(7-10)9-18-15(20)19-12-5-6-13(16)14(17)8-12/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyOAHQDBCFQWOIRY-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.62
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea

1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea (PubChem CID 108866438) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
PubChem CID108866438
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H14Cl2N2O/c1-10-3-2-4-11(7-10)9-18-15(20)19-12-5-6-13(16)14(17)8-12/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyOAHQDBCFQWOIRY-UHFFFAOYSA-N
XLogP4.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312064
N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019724
1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47194938
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
CID 54944882
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
1-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methyl]urea
CID 108897773
1-[(3-methylphenyl)methyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871988
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898098
1-[(3-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108988759

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea (CID 108866438) is 1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea is Cc1cccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea?
The InChIKey is OAHQDBCFQWOIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-10-3-2-4-11(7-10)9-18-15(20)19-12-5-6-13(16)14(17)8-12/h2-8H,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea?
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea has a molecular weight of 309.20 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 108866438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).